1-benzyl-3-(2-methylpropoxy)pyrrolidine

C15H23NO — CID 67473333

IUPAC1-benzyl-3-(2-methylpropoxy)pyrrolidine
SMILESCC(C)COC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-13(2)12-17-15-8-9-16(11-15)10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyNWVHEAKOKZQHOV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.93
Rot. Bonds5

About 1-benzyl-3-(2-methylpropoxy)pyrrolidine

1-benzyl-3-(2-methylpropoxy)pyrrolidine (PubChem CID 67473333) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylpropoxy)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(2-methylpropoxy)pyrrolidine
PubChem CID67473333
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-benzyl-3-(2-methylpropoxy)pyrrolidine
SMILESCC(C)COC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-13(2)12-17-15-8-9-16(11-15)10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyNWVHEAKOKZQHOV-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79626908
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704
2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine
CID 103228667
2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918388

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylpropoxy)pyrrolidine?
The IUPAC name of 1-benzyl-3-(2-methylpropoxy)pyrrolidine (CID 67473333) is 1-benzyl-3-(2-methylpropoxy)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(2-methylpropoxy)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(2-methylpropoxy)pyrrolidine is CC(C)COC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2-methylpropoxy)pyrrolidine?
The InChIKey is NWVHEAKOKZQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)12-17-15-8-9-16(11-15)10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 1-benzyl-3-(2-methylpropoxy)pyrrolidine?
1-benzyl-3-(2-methylpropoxy)pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylpropoxy)pyrrolidine is sourced from PubChem (CID 67473333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).